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Theoretical chemistry
Results: 969

#	Item
851	THE JOURNAL OF CHEMICAL PHYSICS 122, 094508 共2005兲 Application of the Wolf damped Coulomb method to simulations of SiC Add to Reading List Source URL: www.imslab.rutgers.edu Language: English - Date: 2006-08-28 09:49:58 Crystal Molecular dynamics Ewald summation Relaxation Chemistry Computational chemistry Theoretical chemistry
852	Molecular Simulation, Vol. 31, No. 11, 15 September 2005, 739–748 Modified Wolf electrostatic summation: Incorporating Add to Reading List Source URL: www.imslab.rutgers.edu Language: English - Date: 2006-08-28 09:50:15 Electromagnetism Molecular modelling Potential theory Theoretical chemistry Molecular dynamics Ewald summation Electric potential energy Crystal Energy drift Chemistry Physics Computational chemistry
853	Gaussian 09 Revision D.01 Release Notes 4 June 2013 Starred items are new or updated for this revision Add to Reading List Source URL: www.gaussian.com Language: English - Date: 2014-02-27 14:34:48 Theoretical chemistry Computational physics Basis set Hartree–Fock method Gaussian Density functional theory Time-dependent density functional theory Force field Crystal Chemistry Quantum chemistry Computational chemistry
854	Lecture notes on Tight-Binding Molecular Dynamics, and Tight-Binding justification of classical potentials Furio Ercolessi Add to Reading List Source URL: www.fisica.uniud.it Language: English - Date: 2010-11-03 19:11:39 Computational chemistry Theoretical chemistry Atomic physics Antibonding Tight binding Chemical bond Atomic orbital Basis set Molecular dynamics Chemistry Quantum chemistry Chemical bonding
855	ˇ JONOSKA NATASA Curriculum Vitae Office Address Department of Mathematics University of South Florida Add to Reading List Source URL: www.math.usf.edu Language: English - Date: 2009-03-06 15:12:59 Biology Science Formal languages Molecular biology International Society for Nanoscale Science Computation and Engineering Natural computing DNA computing Chemistry Picture language DNA nanotechnology Theoretical computer science Classes of computers
856	Solve the Secular Equations: HΨ = ESΨ Outline: Introduction Extended Hückel Molecular Orbital Theory Instructions for Using the Applet Frequently Asked Questions Add to Reading List Source URL: www.colby.edu Language: English - Date: 2014-05-16 09:18:23 Molecular physics Theoretical chemistry Computational chemistry Hückel method Molecular orbital Orbital hybridisation Atomic orbital Linear combination of atomic orbitals Chemical bond Chemistry Quantum chemistry Chemical bonding
857	POSTER PRESENTATION DATE[removed]POSTER NAME Add to Reading List Source URL: chemicalphysics09.iyte.edu.tr Language: English - Date: 2010-10-12 14:14:43 Quantum chemistry Organic semiconductor Crystal Chemistry Electronics Theoretical chemistry
858	Athl_UNT_Acad_WordMark_2Line.ai Add to Reading List Source URL: research.unt.edu Language: English - Date: 2011-11-08 14:31:42 Theoretical chemistry Computational science NWChem Molecular dynamics High-performance computing Peter Coveney Sidney Fernbach Award Chemistry Science Computational chemistry
859	Microsoft Word - pub_n_elmaci.doc Add to Reading List Source URL: web.iyte.edu.tr Language: English - Date: 2014-02-24 05:07:30 Cyanine Publishing Academic publishing Computational and Theoretical Chemistry Theoretical chemistry Karaca
860	5-1 Molecular Shapes Laboratory Introduction to VSEPR Theory This laboratory introduces the concept of Valence Shell Electron Pair Repulsion (VSEPR) theory and the molecular geometry and bonding that it describes. In th Add to Reading List Source URL: www.webmo.net Language: English - Date: 2008-07-25 14:35:21 Stereochemistry Molecular geometry Theoretical chemistry Orbital hybridisation VSEPR theory Chemical bond Non-bonding orbital Molecular orbital Trigonal pyramidal molecular geometry Chemistry Chemical bonding Quantum chemistry

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